[Pw_forum] how to calculate binding energy of NaBiO3

[Sudha Priyanka]

 Can anyone suggest how to calculate binding energy of my crystal NaBiO3 by
using Quantum Espresso?

I have successfully completed the SCF of NaBiO3 using GGA-PBE. I have
checked the SCF file and found the energy value : -333.03842 Ry/unit cell.

I have performed total energy calculation of isolated atoms Na, Bi and O
and found energy value as -192.232097 Ry, -141.20403847 Ry, -126.84166 Ry
respectively.

Now, please guide me how to calculate the binding energy of NaBiO3.

Also I would like to know what should be the binding energy value for a
crystal to be stable? It should be positive or negative value?

Please suggests formula to calculate binding energy for this perovskite and
suggest me some link or any related papers.

Your help will be appreciated

Thanks in advance

Sudha Priyanka
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